Vibrational Frequencies calculated at MP3/cc-pVDZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A |
878 |
832 |
13.35 |
|
|
|
| 2 |
A |
638 |
605 |
12.34 |
|
|
|
| 3 |
A |
347 |
329 |
0.04 |
|
|
|
| 4 |
A |
123 |
117 |
0.29 |
|
|
|
| 5 |
B |
667 |
632 |
22.73 |
|
|
|
| 6 |
B |
457 |
433 |
3.03 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1555.0 cm
-1
Scaled (by 0.9479) Zero Point Vibrational Energy (zpe) 1474.0 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.